AG0084N4

105985-18-0 | 5-Chloro-3-methyl-2(1h)-pyrazinone

AG0084N4

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CAS Number	105985-18-0
Catalog Number	AG0084N4(AGN-PC-086DLW)
Chemical Name	5-Chloro-3-methyl-2(1h)-pyrazinone
IUPAC Name	5-chloro-3-methyl-1H-pyrazin-2-one
InChI	InChI=1S/C5H5ClN2O/c1-3-5(9)7-2-4(6)8-3/h2H,1H3,(H,7,9)
InChI Key	RPSYCJIAXZWJQS-UHFFFAOYSA-N
MDL Number	MFCD15144356
Molecular Formula	C5H5ClN2O
Molecular Weight	144.5590
SMILES	Cc1c(=O)[nH]cc(n1)Cl
Synonyms	105985-18-0, 5-CHLORO-3-METHYL-2(1H)-PYRAZINONE, 5-chloro-3-methylpyrazin-2(1H)-one, CTK4A4258, DTXSID90677826, MFCD15144356, ZINC49582211, AKOS015850384, 2(1H)-Pyrazinone, 5-chloro-3-methyl-, DB-059424, A2014, FT-0750492, I14-14423,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	144.009g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	144.558g/mol
Monoisotopic Mass	144.009g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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